N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide

C17H13FN2O2 — CID 59192233

IUPACN-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(O)cc1F)c1ccc2ncccc2c1
InChIInChI=1S/C17H13FN2O2/c18-15-9-14(21)5-3-13(15)10-20-17(22)12-4-6-16-11(8-12)2-1-7-19-16/h1-9,21H,10H2,(H,20,22)
InChIKeyCDQGWJQHCMSYEU-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.01
Rot. Bonds3

About N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide

N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide (PubChem CID 59192233) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
PubChem CID59192233
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC NameN-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(O)cc1F)c1ccc2ncccc2c1
InChIInChI=1S/C17H13FN2O2/c18-15-9-14(21)5-3-13(15)10-20-17(22)12-4-6-16-11(8-12)2-1-7-19-16/h1-9,21H,10H2,(H,20,22)
InChIKeyCDQGWJQHCMSYEU-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(5-butoxy-2-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192103
N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 79529850
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192109
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide
CID 143959873
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide (CID 59192233) is N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide is O=C(NCc1ccc(O)cc1F)c1ccc2ncccc2c1.
What is the InChIKey of N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide?
The InChIKey is CDQGWJQHCMSYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-15-9-14(21)5-3-13(15)10-20-17(22)12-4-6-16-11(8-12)2-1-7-19-16/h1-9,21H,10H2,(H,20,22).
What are the key properties of N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide?
N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).